N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide

C18H18FNO3 — CID 46586210

IUPACN-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2cccc(F)c2)cc1OC
InChIInChI=1S/C18H18FNO3/c1-3-9-23-16-8-7-14(11-17(16)22-2)18(21)20-12-13-5-4-6-15(19)10-13/h3-8,10-11H,1,9,12H2,2H3,(H,20,21)
InChIKeyZWMZILPVWYTFOT-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.33
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide

N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 46586210) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID46586210
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2cccc(F)c2)cc1OC
InChIInChI=1S/C18H18FNO3/c1-3-9-23-16-8-7-14(11-17(16)22-2)18(21)20-12-13-5-4-6-15(19)10-13/h3-8,10-11H,1,9,12H2,2H3,(H,20,21)
InChIKeyZWMZILPVWYTFOT-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
CID 47019688
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24640038
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635886
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[(E)-[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126316719
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide (CID 46586210) is N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCc2cccc(F)c2)cc1OC.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is ZWMZILPVWYTFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-3-9-23-16-8-7-14(11-17(16)22-2)18(21)20-12-13-5-4-6-15(19)10-13/h3-8,10-11H,1,9,12H2,2H3,(H,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 315.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 46586210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).